(2Z)-7,14-dimethoxy-2,3-dimethyltricyclo[11.3.1.14,8]octadeca-1(17),2,4(18),5,7,13,15-heptaene

C22H26O2 — CID 11823446

IUPAC(2Z)-7,14-dimethoxy-2,3-dimethyltricyclo[11.3.1.14,8]octadeca-1(17),2,4(18),5,7,13,15-heptaene
SMILESCOc1ccc2cc1CCCCc1cc(ccc1OC)/C(C)=C\2C
InChIInChI=1S/C22H26O2/c1-15-16(2)18-10-12-22(24-4)20(14-18)8-6-5-7-19-13-17(15)9-11-21(19)23-3/h9-14H,5-8H2,1-4H3/b16-15-
InChIKeyMLRDRLTZBFXYEV-NXVVXOECSA-N
MW322.45 g/mol
LogP5.53
Rot. Bonds2

About (2Z)-7,14-dimethoxy-2,3-dimethyltricyclo[11.3.1.14,8]octadeca-1(17),2,4(18),5,7,13,15-heptaene

(2Z)-7,14-dimethoxy-2,3-dimethyltricyclo[11.3.1.14,8]octadeca-1(17),2,4(18),5,7,13,15-heptaene (PubChem CID 11823446) has the molecular formula C22H26O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is (2Z)-7,14-dimethoxy-2,3-dimethyltricyclo[11.3.1.14,8]octadeca-1(17),2,4(18),5,7,13,15-heptaene.

Molecular Properties

Compound Name(2Z)-7,14-dimethoxy-2,3-dimethyltricyclo[11.3.1.14,8]octadeca-1(17),2,4(18),5,7,13,15-heptaene
PubChem CID11823446
Molecular FormulaC22H26O2
Molecular Weight322.45 g/mol
Exact Mass322.19
IUPAC Name(2Z)-7,14-dimethoxy-2,3-dimethyltricyclo[11.3.1.14,8]octadeca-1(17),2,4(18),5,7,13,15-heptaene
SMILESCOc1ccc2cc1CCCCc1cc(ccc1OC)/C(C)=C\2C
InChIInChI=1S/C22H26O2/c1-15-16(2)18-10-12-22(24-4)20(14-18)8-6-5-7-19-13-17(15)9-11-21(19)23-3/h9-14H,5-8H2,1-4H3/b16-15-
InChIKeyMLRDRLTZBFXYEV-NXVVXOECSA-N
XLogP5.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

6,17,23,34-tetramethoxypentacyclo[29.3.1.15,9.114,18.122,26]octatriaconta-1(34),5,7,9(38),14(37),15,17,22,24,26(36),31(35),32-dodecaene
CID 11802005
(2Z)-7,16-dimethoxytricyclo[13.3.1.14,8]icosa-1(19),2,4(20),5,7,15,17-heptaene
CID 101443306
15,17-dimethoxybicyclo[12.2.2]octadeca-1(16),14,17-triene
CID 15938960
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5-(4-methoxyphenyl)-2,3-dihydro-1H-indene
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CID 81224481
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
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CID 82039407
6,15,23,32-tetramethoxy-9,12,26,29-tetraoxapentacyclo[29.3.1.13,7.114,18.120,24]octatriaconta-1(35),3(38),4,6,14,16,18(37),20(36),21,23,31,33-dodecaene-2,19-dione
CID 10628101
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Frequently Asked Questions

What is the IUPAC name of (2Z)-7,14-dimethoxy-2,3-dimethyltricyclo[11.3.1.14,8]octadeca-1(17),2,4(18),5,7,13,15-heptaene?
The IUPAC name of (2Z)-7,14-dimethoxy-2,3-dimethyltricyclo[11.3.1.14,8]octadeca-1(17),2,4(18),5,7,13,15-heptaene (CID 11823446) is (2Z)-7,14-dimethoxy-2,3-dimethyltricyclo[11.3.1.14,8]octadeca-1(17),2,4(18),5,7,13,15-heptaene.
What is the SMILES notation for (2Z)-7,14-dimethoxy-2,3-dimethyltricyclo[11.3.1.14,8]octadeca-1(17),2,4(18),5,7,13,15-heptaene?
The canonical SMILES for (2Z)-7,14-dimethoxy-2,3-dimethyltricyclo[11.3.1.14,8]octadeca-1(17),2,4(18),5,7,13,15-heptaene is COc1ccc2cc1CCCCc1cc(ccc1OC)/C(C)=C\2C.
What is the InChIKey of (2Z)-7,14-dimethoxy-2,3-dimethyltricyclo[11.3.1.14,8]octadeca-1(17),2,4(18),5,7,13,15-heptaene?
The InChIKey is MLRDRLTZBFXYEV-NXVVXOECSA-N. The full InChI is InChI=1S/C22H26O2/c1-15-16(2)18-10-12-22(24-4)20(14-18)8-6-5-7-19-13-17(15)9-11-21(19)23-3/h9-14H,5-8H2,1-4H3/b16-15-.
What are the key properties of (2Z)-7,14-dimethoxy-2,3-dimethyltricyclo[11.3.1.14,8]octadeca-1(17),2,4(18),5,7,13,15-heptaene?
(2Z)-7,14-dimethoxy-2,3-dimethyltricyclo[11.3.1.14,8]octadeca-1(17),2,4(18),5,7,13,15-heptaene has a molecular weight of 322.45 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-7,14-dimethoxy-2,3-dimethyltricyclo[11.3.1.14,8]octadeca-1(17),2,4(18),5,7,13,15-heptaene is sourced from PubChem (CID 11823446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).